SCHEMBL19601232

SCHEMBL19601232

CCC(Cc1ccc(C(C)C(=O)N2CCN(C(=O)C(C)c3ccc(CC(CC)(C(=O)c4ccc(F)cc4)N(C)C)cc3)CC2)cc1)(C(=O)c1ccc(F)cc1)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20988127 0.93 MLNR (0.38) MLNRCYP3A4TSHRPOLBALDH1A1
SCHEMBL23152946 0.93 TSHR (0.52) MLNRCYP3A4TSHRALDH1A1
SCHEMBL17269443 0.93 MLNR (0.39) MLNRCYP3A4TSHRPOLBALDH1A1
SCHEMBL19601366 0.86 MLNR (0.36) MLNRCYP3A4ALDH1A1LMNA
SCHEMBL17269438 0.86 PTGS2 (0.42) TSHRALDH1A1LMNA
SCHEMBL19601161 0.86 POLB (0.48) POLBLMNA
SCHEMBL19601377 0.84 TSHR (0.39) TSHRALDH1A1TRPV1
SCHEMBL2704437 0.83 RIPK1 (0.46) POLBALDH1A1LMNA
SCHEMBL17269396 0.82 TSHR (0.39) TSHRALDH1A1
SCHEMBL23730285 0.81 TSHR (0.37) TSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11079675-B2 Compound, photocurable composition, cured product of same, printing ink, and printed matter curing the printing ink DIC CORPORATION (JP) 2021-08-03 US disclosed
WO-2019198490-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, INSULATING MATERIAL, RESIN MATERIAL FOR SOLDER RESISTS AND RESIST MEMBER DIC株式会社 2019-10-17 WO disclosed
US-20190137872-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT OF SAME, PRINTING INK, AND PRINTED MATTER SURING THE PRINTING INK DIC CORPORATION (JP) 2019-05-09 US disclosed
WO-2017195428-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, PRINTING INK, AND PRINTED MATTER USING PRINTING INK DIC株式会社 2017-11-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11079675-B2 Compound, photocurable composition, cured product of same, printing ink, and printed matter curing the printing ink EPB41, F12, CDK1 MLNR 3815/4885CYP3A4 1229/4885TSHR 4803/4885
US-20190137872-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT OF SAME, PRINTING INK, AND PRINTED MATTER SURING THE PRINTING INK EPB41, CDK1, CDKN1A MLNR 4209/4885CYP3A4 1086/4885TSHR 4758/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.